SCHEMBL6944875

SCHEMBL6944875

C[n+]1ccn(CC(=O)Nc2ccc(N)cc2O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.43
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 4/20 0.40
GFER P55789 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 3/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6939662 0.99 RAD52 (0.42) RAD52LMNASMN1; SMN2HPGDGFER
SCHEMBL6944270 0.86 HPGD (0.52) LMNASMN1; SMN2HPGDCYP1A2CYP2C19
SCHEMBL6946140 0.86 HPGD (0.44) LMNASMN1; SMN2HPGDCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL6941314 0.85 HPGD (0.51) LMNASMN1; SMN2HPGDCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6939292 0.85 HPGD (0.43) LMNASMN1; SMN2HPGDCYP1A2CYP2C9
SCHEMBL6573686 0.84 RAD52 (0.39) RAD52LMNAHPGDGFERCYP1A2
Hydrochloric Acid SCHEMBL6572916 0.83 RAD52 (0.39) RAD52LMNAHPGDGFERCYP1A2
SCHEMBL6943594 0.83 POLB (0.40) LMNASMN1; SMN2HPGDCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5243053 0.82 POLB (0.40) LMNASMN1; SMN2HPGDCYP1A2CYP2C9
SCHEMBL6943172 0.82 MAPT (0.49) LMNASMN1; SMN2HPGDMAPK1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP disclosed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed